Cas no 16325-89-6 (3-butylbenzenethiol)
3-butylbenzenethiol Chemical and Physical Properties
Names and Identifiers
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- LogP
- 3-butylbenzenethiol
- 3-N-BUTYLBENZENETHIOL
- DB-208294
- DTXSID60601799
- 16325-89-6
- SCHEMBL1532723
- 3-Butylbenzene-1-thiol
- Benzenethiol, 3-butyl-
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- MDL: MFCD17015414
- Inchi: 1S/C10H14S/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8,11H,2-3,5H2,1H3
- InChI Key: LPVIODAMAHTWHF-UHFFFAOYSA-N
- SMILES: SC1=CC=CC(=C1)CCCC
Computed Properties
- Exact Mass: 166.08172
- Monoisotopic Mass: 166.08162162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 1?2
Experimental Properties
- Density: 0.99
- Boiling Point: 249.3°C at 760 mmHg
- Flash Point: 109.4°C
- Refractive Index: 1.547
- PSA: 0
3-butylbenzenethiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A491581-1g |
3-n-Butylbenzenethiol |
16325-89-6 | 95+% | 1g |
$599.0 | 2024-04-23 | |
| Crysdot LLC | CD12135937-5g |
3-n-Butylbenzenethiol |
16325-89-6 | 95+% | 5g |
$1782 | 2024-07-24 |
3-butylbenzenethiol Suppliers
3-butylbenzenethiol Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
Additional information on 3-butylbenzenethiol
Recent Advances in the Study of 3-Butylbenzenethiol (CAS: 16325-89-6) in Chemical Biology and Pharmaceutical Research
3-Butylbenzenethiol (CAS: 16325-89-6) is a sulfur-containing aromatic compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by a butyl group attached to a benzene ring with a thiol functional group, exhibits unique chemical properties that make it a valuable intermediate in organic synthesis and drug development. Recent studies have explored its role in the synthesis of bioactive molecules, its interactions with biological targets, and its potential therapeutic applications.
One of the key areas of research involving 3-butylbenzenethiol is its use as a building block in the synthesis of more complex molecules. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the preparation of thiol-containing inhibitors for cysteine proteases, which are implicated in various diseases, including cancer and neurodegenerative disorders. The researchers highlighted the compound's ability to form stable covalent bonds with the active-site cysteine residues of these enzymes, leading to potent inhibition.
In addition to its synthetic applications, 3-butylbenzenethiol has been investigated for its direct biological effects. A recent preprint on bioRxiv reported that this compound exhibits moderate antimicrobial activity against Gram-positive bacteria, suggesting its potential as a lead compound for the development of new antibiotics. The study also noted that the butyl group's hydrophobicity plays a critical role in enhancing membrane penetration, a finding that could inform the design of more effective antimicrobial agents.
Another promising avenue of research involves the use of 3-butylbenzenethiol in drug delivery systems. A 2024 paper in ACS Applied Materials & Interfaces described its incorporation into polymeric nanoparticles designed for targeted drug release. The thiol group's reactivity allowed for facile conjugation with drug molecules, while the butyl group contributed to the nanoparticles' stability in physiological environments. This dual functionality positions 3-butylbenzenethiol as a versatile component in nanomedicine.
Despite these advances, challenges remain in the widespread application of 3-butylbenzenethiol. Issues such as its relatively low solubility in aqueous media and potential toxicity at higher concentrations need to be addressed. Ongoing research is exploring structural modifications to mitigate these limitations while preserving the compound's beneficial properties. For instance, a recent patent application disclosed a series of derivatives with improved pharmacokinetic profiles, underscoring the continued interest in optimizing this chemical scaffold.
In conclusion, 3-butylbenzenethiol (CAS: 16325-89-6) represents a promising compound in chemical biology and pharmaceutical research, with applications ranging from drug synthesis to antimicrobial development and nanomedicine. Future studies are expected to further elucidate its mechanisms of action and expand its therapeutic potential, making it a compound to watch in the coming years.
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